methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane

C30H24BN3 — CID 158652282

IUPACmethyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane
SMILESCB(c1cccc(-c2ccc3c4ccccc4n(-c4ccc(C)cn4)c3c2)c1)c1ccccn1
InChIInChI=1S/C30H24BN3/c1-21-13-16-30(33-20-21)34-27-11-4-3-10-25(27)26-15-14-23(19-28(26)34)22-8-7-9-24(18-22)31(2)29-12-5-6-17-32-29/h3-20H,1-2H3
InChIKeyKSUPYVSFRZDKPR-UHFFFAOYSA-N
MW437.36 g/mol
LogP5.79
Rot. Bonds4

About methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane

methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane (PubChem CID 158652282) has the molecular formula C30H24BN3 and a molecular weight of 437.36 g/mol. Its IUPAC name is methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane.

Molecular Properties

Compound Namemethyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane
PubChem CID158652282
Molecular FormulaC30H24BN3
Molecular Weight437.36 g/mol
Exact Mass437.21
IUPAC Namemethyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane
SMILESCB(c1cccc(-c2ccc3c4ccccc4n(-c4ccc(C)cn4)c3c2)c1)c1ccccn1
InChIInChI=1S/C30H24BN3/c1-21-13-16-30(33-20-21)34-27-11-4-3-10-25(27)26-15-14-23(19-28(26)34)22-8-7-9-24(18-22)31(2)29-12-5-6-17-32-29/h3-20H,1-2H3
InChIKeyKSUPYVSFRZDKPR-UHFFFAOYSA-N
XLogP5.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridin-2-amine
CID 157242639
methyl-[3-[5-[3-[methyl-(9-pyridin-2-ylcarbazol-2-yl)boranyl]phenyl]pyrazin-2-yl]phenyl]-(9-pyridin-2-ylcarbazol-2-yl)borane
CID 157311972
dimethyl-(4-methyl-2-pyridinyl)-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]silane
CID 158985368
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
CID 159430462
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
CID 157488582
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole
CID 157460686

Frequently Asked Questions

What is the IUPAC name of methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane?
The IUPAC name of methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane (CID 158652282) is methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane.
What is the SMILES notation for methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane?
The canonical SMILES for methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane is CB(c1cccc(-c2ccc3c4ccccc4n(-c4ccc(C)cn4)c3c2)c1)c1ccccn1.
What is the InChIKey of methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane?
The InChIKey is KSUPYVSFRZDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BN3/c1-21-13-16-30(33-20-21)34-27-11-4-3-10-25(27)26-15-14-23(19-28(26)34)22-8-7-9-24(18-22)31(2)29-12-5-6-17-32-29/h3-20H,1-2H3.
What are the key properties of methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane?
methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane has a molecular weight of 437.36 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane is sourced from PubChem (CID 158652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).